5-[(2,2-dinitro-5-oxidanyl-5-oxidanylidene-pentoxy)methoxy]-4,4-dinitro-pentanoic acid

Systemtic Name: 5-[(2,2-dinitro-5-oxidanyl-5-oxidanylidene-pentoxy)methoxy]-4,4-dinitro-pentanoic acid Openeye Name: 5-[(5-hydroxy-2,2-dinitro-5-oxo-pentoxy)methoxy]-4,4-dinitro-pentanoic acid CAS Name: 5-[(5-hydroxy-2,2-dinitro-5-oxopentoxy)methoxy]-4,4-dinitropentanoic acid IUPAC Name: 5-[(5-hydroxy-2,2-dinitro-5-oxopentoxy)methoxy]-4,4-dinitropentanoic acid Traditional Name: 5-[(5-hydroxy-5-keto-2,2-dinitro-pentoxy)methoxy]-4,4-dinitro-valeric acid Formula: C11H16N4O14 MolecularWeight: 428.26314

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Descriptors Computed from Structure

Canonical SMILES:

C(CC(COCOCC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)O

Isomeric SMILES

C(CC(COCOCC(CCC(=O)O)([N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C11H16N4O14/c16-8(17)1-3-10(12(20)21,13(22)23)5-28-7-29-6-11(14(24)25,15(26)27)4-2-9(18)19/h1-7H2,(H,16,17)(H,18,19)